3,3',6,6'-tetrakis(dimethyl-tert-butylsilyl)-di-2-pyridyl disulfide | 137955-88-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 3,3',6,6'-tetrakis(dimethyl-tert-butylsilyl)-di-2-pyridyl disulfide
• 英文别名: 2,2'-Disulfanediylbis{3,6-bis[tert-butyl(dimethyl)silyl]pyridine}；[2-[[3,6-bis[tert-butyl(dimethyl)silyl]pyridin-2-yl]disulfanyl]-6-[tert-butyl(dimethyl)silyl]pyridin-3-yl]-tert-butyl-dimethylsilane
• CAS: 137955-88-5
• 化学式: C₃₄H₆₄N₂S₂Si₄
• 分子量: 677.37
• InChiKey: REFLRHAQKBAQJD-UHFFFAOYSA-N

物化性质

• 沸点：
  558.5±50.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.14
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 3,6-bis(tert-butyldimethylsilyl)pyridine-2-thione 以 甲醇 为溶剂， 以40%的产率得到chlorobis(3,6-bis(dimethyl-tert-butylsilyl)-2(1H)-pyridinethione)copper(I)
  参考文献：
  名称：

  Copper(I) complexes of sterically-hindered 2-pyridinethione ligands. Crystal structures of [CuCl(2-SC5H2NH-3-SiMe3-6-SiEt3)2] and the disulfide, [−2-SC5H2N-3,6-(SiMe2But)2]2

  摘要：

  The reactions of Cu(II)X2 species (X = Cl-, NO3-) with 3-(triorganosilyl)pyridine-2-thiols and 3,6-(triorganosilyl)pyridine-2-thiols were investigated. When the less sterically hindered 3-(triorganosilyl)pyridine-2-thiol ligands were used, Cu(I) species of the type [Cu(2-SC5H3NH-3-SiR3)3]+ were isolated. In contrast, use of the sterically demanding ligands (SC5H2NH-3-SiMe3-6-SiEt3) and (SC5H2NH-3,6-SiMe2Bu(t)) yielded the Cu(I) species [Cu(2-SC5H2NH-3-SiMe3-6-SiEt3)2Cl] (2) and [Cu(2-SC5H2NH-3,6-SiMe3Bu(t))2Cl] (3). The sulfur ligands are present as monodentate donors in the neutral thione form, protonated at the pyridine nitrogen. The isolation of 3,3',6,6'-tetrakis(dimethyl-tert-butylsilyl)pyridyl disulfide (4) confirms the role of the thiolates as reductants in the synthesis of the Cu(I) complexes. Crystal data: [Cu(2-SC5H2NH-3-SiMe3-6-SiEt3)2Cl] (2), monoclinic P2(1)/c, a = 16.845(3), b = 13.421(2), c = 17.288(3) angstrom, beta = 92.46(1)-degrees, V = 3904.8 angstrom 3, Z = 4, D(calc) = 1.18 g cm-3. Structure refinement and solution based on 1810 reflections converged at 0.065. C34H64N2Si4S2 (4), orthorhombic Pbcn, a = 12.720(2), b = 15.521(3), c = 21.162(3) angstrom, V = 4177.8(10) angstrom 3, Z = 4, D(calc) = 1.07 g cm-3, 2290 reflections, R = 0.058.

  DOI：

  10.1016/s0020-1693(00)82977-1

文献信息

• Copper(I) complexes of sterically-hindered 2-pyridinethione ligands. Crystal structures of [CuCl(2-SC5H2NH-3-SiMe3-6-SiEt3)2] and the disulfide, [−2-SC5H2N-3,6-(SiMe2But)2]2
  作者：Eric Block、Gabriel Ofori-Okai、Kang Hyunkyu、Jon A. Zubieta

  DOI：10.1016/s0020-1693(00)82977-1

  日期：1991.9

  The reactions of Cu(II)X2 species (X = Cl-, NO3-) with 3-(triorganosilyl)pyridine-2-thiols and 3,6-(triorganosilyl)pyridine-2-thiols were investigated. When the less sterically hindered 3-(triorganosilyl)pyridine-2-thiol ligands were used, Cu(I) species of the type [Cu(2-SC5H3NH-3-SiR3)3]+ were isolated. In contrast, use of the sterically demanding ligands (SC5H2NH-3-SiMe3-6-SiEt3) and (SC5H2NH-3,6-SiMe2Bu(t)) yielded the Cu(I) species [Cu(2-SC5H2NH-3-SiMe3-6-SiEt3)2Cl] (2) and [Cu(2-SC5H2NH-3,6-SiMe3Bu(t))2Cl] (3). The sulfur ligands are present as monodentate donors in the neutral thione form, protonated at the pyridine nitrogen. The isolation of 3,3',6,6'-tetrakis(dimethyl-tert-butylsilyl)pyridyl disulfide (4) confirms the role of the thiolates as reductants in the synthesis of the Cu(I) complexes. Crystal data: [Cu(2-SC5H2NH-3-SiMe3-6-SiEt3)2Cl] (2), monoclinic P2(1)/c, a = 16.845(3), b = 13.421(2), c = 17.288(3) angstrom, beta = 92.46(1)-degrees, V = 3904.8 angstrom 3, Z = 4, D(calc) = 1.18 g cm-3. Structure refinement and solution based on 1810 reflections converged at 0.065. C34H64N2Si4S2 (4), orthorhombic Pbcn, a = 12.720(2), b = 15.521(3), c = 21.162(3) angstrom, V = 4177.8(10) angstrom 3, Z = 4, D(calc) = 1.07 g cm-3, 2290 reflections, R = 0.058.